UCSF

ZINC34681465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.06 11.07 -10.76 1 5 0 48 474.914 6
Mid Mid (pH 6-8) 5.06 13.29 -51.05 2 5 1 50 475.922 6
Lo Low (pH 4.5-6) 5.06 13.63 -113.93 3 5 2 51 476.93 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )